N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K279-0778 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-{[(4-methoxyphenyl)methyl]amino}-3-oxopropyl)-2-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]sulfanyl}butanamide |
| Molecular Weight: | 613.69 |
| Molecular Formula: | C32 H31 N5 O6 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C2=NC(C(CCC(NCc3ccc(cc3)OC)=O)N12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8678 |
| logD: | 3.867 |
| logSw: | -4.0853 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.645 |
| InChI Key: | RDPJFOOZWSKIFL-UHFFFAOYSA-N |